SCHEMBL9872812

SCHEMBL9872812

CC(C)(C)Cc1nc2c(OC(=O)C3CCCCC3)nnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
AGTR1 P30556 2/20 0.41
AGTR2 P50052 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9874116 0.95 PPARG (0.44) PPARGAGTR1AGTR2
SCHEMBL9874245 0.91 PPARG (0.42) PPARGAGTR1AGTR2
SCHEMBL9873138 0.89 AGTR2 (0.53) AGTR1AGTR2
SCHEMBL9873928 0.88 AGTR1 (0.46) PPARGAGTR1AGTR2
SCHEMBL9874013 0.88 PPARG (0.46) PPARG
SCHEMBL9874620 0.86 AGTR1 (0.34) PPARGAGTR1AGTR2
SCHEMBL9871981 0.86 AGTR1 (0.42) PPARGAGTR1AGTR2
SCHEMBL9872124 0.86 AGTR1 (0.51) PPARGAGTR1AGTR2
SCHEMBL9872071 0.86 PPARG (0.44) PPARG
SCHEMBL9874477 0.86 PPARG (0.49) PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed